3-cyanopropyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: 3-cyanopropyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 3-cyanopropyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 3-cyanopropyl ester Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC#N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC#N)Cl

InChI

InChI=1S/C17H21ClN2O4S/c18-15-8-7-14(17(21)24-12-6-3-9-19)13-16(15)25(22,23)20-10-4-1-2-5-11-20/h7-8,13H,1-6,10-12H2